N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H30N2 — CID 106603050

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC(C)N(CC1CCCN1)C1CCCCc2ccccc21
InChIInChI=1S/C19H30N2/c1-15(2)21(14-17-10-7-13-20-17)19-12-6-4-9-16-8-3-5-11-18(16)19/h3,5,8,11,15,17,19-20H,4,6-7,9-10,12-14H2,1-2H3
InChIKeyIREQSLNXPYLRNI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.92
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 106603050) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID106603050
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC(C)N(CC1CCCN1)C1CCCCc2ccccc21
InChIInChI=1S/C19H30N2/c1-15(2)21(14-17-10-7-13-20-17)19-12-6-4-9-16-8-3-5-11-18(16)19/h3,5,8,11,15,17,19-20H,4,6-7,9-10,12-14H2,1-2H3
InChIKeyIREQSLNXPYLRNI-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106603161
4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603015
4-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 106622203
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
CID 65056941
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
N-methyl-2-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 66273419
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143330144
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
CID 107150035
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 54943160
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 106603050) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC(C)N(CC1CCCN1)C1CCCCc2ccccc21.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IREQSLNXPYLRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)21(14-17-10-7-13-20-17)19-12-6-4-9-16-8-3-5-11-18(16)19/h3,5,8,11,15,17,19-20H,4,6-7,9-10,12-14H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 286.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 106603050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).