1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine

C19H36N2 — CID 65089610

IUPAC1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(CN)(N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2,3)16-5-4-11-19(14-20,12-10-16)21(17-8-9-17)13-15-6-7-15/h15-17H,4-14,20H2,1-3H3
InChIKeyMXYLCCFRMYSDIT-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.18
Rot. Bonds5

About 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine

1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine (PubChem CID 65089610) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine
PubChem CID65089610
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(CN)(N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2,3)16-5-4-11-19(14-20,12-10-16)21(17-8-9-17)13-15-6-7-15/h15-17H,4-14,20H2,1-3H3
InChIKeyMXYLCCFRMYSDIT-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine (CID 65089610) is 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(CN)(N(CC2CC2)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine?
The InChIKey is MXYLCCFRMYSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-18(2,3)16-5-4-11-19(14-20,12-10-16)21(17-8-9-17)13-15-6-7-15/h15-17H,4-14,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine?
1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65089610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).