1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine

C14H26N2 — CID 79469200

IUPAC1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(N(CC2CC2)CC2CC2)C1
InChIInChI=1S/C14H26N2/c15-13-2-1-3-14(8-13)16(9-11-4-5-11)10-12-6-7-12/h11-14H,1-10,15H2
InChIKeyUTAGKAFRANULRG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.38
Rot. Bonds5

About 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine

1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine (PubChem CID 79469200) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine
PubChem CID79469200
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(N(CC2CC2)CC2CC2)C1
InChIInChI=1S/C14H26N2/c15-13-2-1-3-14(8-13)16(9-11-4-5-11)10-12-6-7-12/h11-14H,1-10,15H2
InChIKeyUTAGKAFRANULRG-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine (CID 79469200) is 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine is NC1CCCC(N(CC2CC2)CC2CC2)C1.
What is the InChIKey of 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine?
The InChIKey is UTAGKAFRANULRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c15-13-2-1-3-14(8-13)16(9-11-4-5-11)10-12-6-7-12/h11-14H,1-10,15H2.
What are the key properties of 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine?
1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79469200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).