7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

C19H31NO — CID 63513012

IUPAC7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCCNC1CC(C)(C)CCc2ccc(OC(C)C)cc21
InChIInChI=1S/C19H31NO/c1-6-11-20-18-13-19(4,5)10-9-15-7-8-16(12-17(15)18)21-14(2)3/h7-8,12,14,18,20H,6,9-11,13H2,1-5H3
InChIKeyPEYXUVMPYCRWQD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.88
Rot. Bonds5

About 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 63513012) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID63513012
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCCNC1CC(C)(C)CCc2ccc(OC(C)C)cc21
InChIInChI=1S/C19H31NO/c1-6-11-20-18-13-19(4,5)10-9-15-7-8-16(12-17(15)18)21-14(2)3/h7-8,12,14,18,20H,6,9-11,13H2,1-5H3
InChIKeyPEYXUVMPYCRWQD-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 63513012) is 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is CCCNC1CC(C)(C)CCc2ccc(OC(C)C)cc21.
What is the InChIKey of 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is PEYXUVMPYCRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-11-20-18-13-19(4,5)10-9-15-7-8-16(12-17(15)18)21-14(2)3/h7-8,12,14,18,20H,6,9-11,13H2,1-5H3.
What are the key properties of 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 289.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 63513012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).