N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C18H29N3 — CID 63897806

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCN1CCN(C)C(CNCC2CCCc3ccccc32)C1
InChIInChI=1S/C18H29N3/c1-20-10-11-21(2)17(14-20)13-19-12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,16-17,19H,5,7-8,10-14H2,1-2H3
InChIKeyZBBFVVYUNDWFJW-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.94
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 63897806) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID63897806
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCN1CCN(C)C(CNCC2CCCc3ccccc32)C1
InChIInChI=1S/C18H29N3/c1-20-10-11-21(2)17(14-20)13-19-12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,16-17,19H,5,7-8,10-14H2,1-2H3
InChIKeyZBBFVVYUNDWFJW-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 63773492
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 97094354
2-(2,4-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 71877563
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]methanamine
CID 79222485
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 63897806) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is CN1CCN(C)C(CNCC2CCCc3ccccc32)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is ZBBFVVYUNDWFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-10-11-21(2)17(14-20)13-19-12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,16-17,19H,5,7-8,10-14H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 63897806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).