4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride

C14H28Cl2N2 — CID 67502944

IUPAC4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(N(CC2CC2)CC2CC2)CC1
InChIInChI=1S/C14H26N2.2ClH/c15-13-5-7-14(8-6-13)16(9-11-1-2-11)10-12-3-4-12;;/h11-14H,1-10,15H2;2*1H
InChIKeyDBBCTMMPRDKIEM-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.22
Rot. Bonds5

About 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride

4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride (PubChem CID 67502944) has the molecular formula C14H28Cl2N2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride
PubChem CID67502944
Molecular FormulaC14H28Cl2N2
Molecular Weight295.30 g/mol
Exact Mass294.16
IUPAC Name4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(N(CC2CC2)CC2CC2)CC1
InChIInChI=1S/C14H26N2.2ClH/c15-13-5-7-14(8-6-13)16(9-11-1-2-11)10-12-3-4-12;;/h11-14H,1-10,15H2;2*1H
InChIKeyDBBCTMMPRDKIEM-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride (CID 67502944) is 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride is Cl.Cl.NC1CCC(N(CC2CC2)CC2CC2)CC1.
What is the InChIKey of 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is DBBCTMMPRDKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.2ClH/c15-13-5-7-14(8-6-13)16(9-11-1-2-11)10-12-3-4-12;;/h11-14H,1-10,15H2;2*1H.
What are the key properties of 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 295.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(cyclopropylmethyl)cyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 67502944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).