N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine

C19H27N5 — CID 171844266

IUPACN-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
SMILESNC[C@H]1CC[C@H](Nc2c3c(nc4ccnn24)C2(CCCC2)CC3)C1
InChIInChI=1S/C19H27N5/c20-12-13-3-4-14(11-13)22-18-15-5-9-19(7-1-2-8-19)17(15)23-16-6-10-21-24(16)18/h6,10,13-14,22H,1-5,7-9,11-12,20H2/t13-,14-/m0/s1
InChIKeyVCPZMBCKOMQGHO-KBPBESRZSA-N
MW325.46 g/mol
LogP3.03
Rot. Bonds3

About N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine

N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine (PubChem CID 171844266) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
PubChem CID171844266
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
SMILESNC[C@H]1CC[C@H](Nc2c3c(nc4ccnn24)C2(CCCC2)CC3)C1
InChIInChI=1S/C19H27N5/c20-12-13-3-4-14(11-13)22-18-15-5-9-19(7-1-2-8-19)17(15)23-16-6-10-21-24(16)18/h6,10,13-14,22H,1-5,7-9,11-12,20H2/t13-,14-/m0/s1
InChIKeyVCPZMBCKOMQGHO-KBPBESRZSA-N
XLogP3.03
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
The IUPAC name of N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine (CID 171844266) is N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine.
What is the SMILES notation for N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
The canonical SMILES for N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine is NC[C@H]1CC[C@H](Nc2c3c(nc4ccnn24)C2(CCCC2)CC3)C1.
What is the InChIKey of N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
The InChIKey is VCPZMBCKOMQGHO-KBPBESRZSA-N. The full InChI is InChI=1S/C19H27N5/c20-12-13-3-4-14(11-13)22-18-15-5-9-19(7-1-2-8-19)17(15)23-16-6-10-21-24(16)18/h6,10,13-14,22H,1-5,7-9,11-12,20H2/t13-,14-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine has a molecular weight of 325.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine is sourced from PubChem (CID 171844266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).