N'-cycloheptylbutane-1,4-diamine

C11H24N2 — CID 60894157

IUPACN'-cycloheptylbutane-1,4-diamine
SMILESNCCCCNC1CCCCCC1
InChIInChI=1S/C11H24N2/c12-9-5-6-10-13-11-7-3-1-2-4-8-11/h11,13H,1-10,12H2
InChIKeyNRVSMTFULFMDTG-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.04
Rot. Bonds5

About N'-cycloheptylbutane-1,4-diamine

N'-cycloheptylbutane-1,4-diamine (PubChem CID 60894157) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-cycloheptylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cycloheptylbutane-1,4-diamine
PubChem CID60894157
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-cycloheptylbutane-1,4-diamine
SMILESNCCCCNC1CCCCCC1
InChIInChI=1S/C11H24N2/c12-9-5-6-10-13-11-7-3-1-2-4-8-11/h11,13H,1-10,12H2
InChIKeyNRVSMTFULFMDTG-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloundecylethane-1,2-diamine
CID 166845791
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N'-cyclopropylpropane-1,3-diamine
CID 44784906
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
N-dodecylcyclohexanamine
CID 3679395
6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
CID 100984635
N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine
CID 67380436
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptylbutane-1,4-diamine?
The IUPAC name of N'-cycloheptylbutane-1,4-diamine (CID 60894157) is N'-cycloheptylbutane-1,4-diamine.
What is the SMILES notation for N'-cycloheptylbutane-1,4-diamine?
The canonical SMILES for N'-cycloheptylbutane-1,4-diamine is NCCCCNC1CCCCCC1.
What is the InChIKey of N'-cycloheptylbutane-1,4-diamine?
The InChIKey is NRVSMTFULFMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c12-9-5-6-10-13-11-7-3-1-2-4-8-11/h11,13H,1-10,12H2.
What are the key properties of N'-cycloheptylbutane-1,4-diamine?
N'-cycloheptylbutane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptylbutane-1,4-diamine is sourced from PubChem (CID 60894157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).