3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine

C19H36N2O4 — CID 23051014

IUPAC3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine
SMILESNC(CCC(=O)O)CC(=O)O.NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C13H25N.C6H11NO4/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;7-4(3-6(10)11)1-2-5(8)9/h11-13H,1-10,14H2;4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKeyFQXNDTXLICVCDV-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.13
Rot. Bonds7

About 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine

3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine (PubChem CID 23051014) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine
PubChem CID23051014
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine
SMILESNC(CCC(=O)O)CC(=O)O.NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C13H25N.C6H11NO4/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;7-4(3-6(10)11)1-2-5(8)9/h11-13H,1-10,14H2;4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKeyFQXNDTXLICVCDV-UHFFFAOYSA-N
XLogP3.13
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
CID 68869731
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
(3S,6S)-3-amino-6-cyclohexylheptanoic acid
CID 68869022
(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride
CID 155904084
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
4-amino-5-(oxan-3-yl)pentanoic acid
CID 63741616
(3S,6R)-3-amino-8-cyclobutyl-6-methyloctanoic acid
CID 68869260
3-aminodocosanedioic acid
CID 57269564
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 512512
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779

Frequently Asked Questions

What is the IUPAC name of 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine (CID 23051014) is 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine is NC(CCC(=O)O)CC(=O)O.NC1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine?
The InChIKey is FQXNDTXLICVCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C6H11NO4/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;7-4(3-6(10)11)1-2-5(8)9/h11-13H,1-10,14H2;4H,1-3,7H2,(H,8,9)(H,10,11).
What are the key properties of 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine?
3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine has a molecular weight of 356.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminohexanedioic acid;4-(cyclohexylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 23051014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).