4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine

C13H27N3 — CID 65384386

IUPAC4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(NCC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-11(2)16-7-5-13(10-14,6-8-16)15-9-12-3-4-12/h11-12,15H,3-10,14H2,1-2H3
InChIKeyRXRDVMRLRJOJFR-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.19
Rot. Bonds5

About 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 65384386) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID65384386
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(NCC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-11(2)16-7-5-13(10-14,6-8-16)15-9-12-3-4-12/h11-12,15H,3-10,14H2,1-2H3
InChIKeyRXRDVMRLRJOJFR-UHFFFAOYSA-N
XLogP1.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine (CID 65384386) is 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(CN)(NCC2CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is RXRDVMRLRJOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)16-7-5-13(10-14,6-8-16)15-9-12-3-4-12/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 65384386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).