1-(3-aminopropylamino)cyclohexane-1-carbaldehyde

C10H20N2O — CID 88524288

IUPAC1-(3-aminopropylamino)cyclohexane-1-carbaldehyde
SMILESNCCCNC1(C=O)CCCCC1
InChIInChI=1S/C10H20N2O/c11-7-4-8-12-10(9-13)5-2-1-3-6-10/h9,12H,1-8,11H2
InChIKeyPGXLISOWPXQKLV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.83
Rot. Bonds5

About 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde

1-(3-aminopropylamino)cyclohexane-1-carbaldehyde (PubChem CID 88524288) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-aminopropylamino)cyclohexane-1-carbaldehyde
PubChem CID88524288
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3-aminopropylamino)cyclohexane-1-carbaldehyde
SMILESNCCCNC1(C=O)CCCCC1
InChIInChI=1S/C10H20N2O/c11-7-4-8-12-10(9-13)5-2-1-3-6-10/h9,12H,1-8,11H2
InChIKeyPGXLISOWPXQKLV-UHFFFAOYSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
1-(propylamino)cyclopropane-1-carbaldehyde
CID 174589719
1-[(2-methylpropan-2-yl)oxymethylamino]cyclopentane-1-carbaldehyde
CID 134449669
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
butyl N-(1-formylcyclopentyl)carbamate
CID 87815678
N'-[[4-[[(1-aminocyclohexyl)methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 11255168
4-(3-aminopropylamino)butanal
CID 19913541
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103
4-(3-aminopropylamino)thiane-4-carboxylic acid
CID 114999238
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 70658066

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde (CID 88524288) is 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde is NCCCNC1(C=O)CCCCC1.
What is the InChIKey of 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde?
The InChIKey is PGXLISOWPXQKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-7-4-8-12-10(9-13)5-2-1-3-6-10/h9,12H,1-8,11H2.
What are the key properties of 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde?
1-(3-aminopropylamino)cyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88524288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).