2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine

C14H23N5 — CID 62833677

IUPAC2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H23N5/c15-5-8-18-6-2-7-19(10-9-18)14-12-3-1-4-13(12)16-11-17-14/h11H,1-10,15H2
InChIKeyUBCKVNVWOGYZAK-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.44
Rot. Bonds3

About 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine (PubChem CID 62833677) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
PubChem CID62833677
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H23N5/c15-5-8-18-6-2-7-19(10-9-18)14-12-3-1-4-13(12)16-11-17-14/h11H,1-10,15H2
InChIKeyUBCKVNVWOGYZAK-UHFFFAOYSA-N
XLogP0.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine (CID 62833677) is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine is NCCN1CCCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The InChIKey is UBCKVNVWOGYZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-5-8-18-6-2-7-19(10-9-18)14-12-3-1-4-13(12)16-11-17-14/h11H,1-10,15H2.
What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 62833677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).