1-N-(cyclopropylmethyl)hexane-1,5-diamine

C10H22N2 — CID 82853515

IUPAC1-N-(cyclopropylmethyl)hexane-1,5-diamine
SMILESCC(N)CCCCNCC1CC1
InChIInChI=1S/C10H22N2/c1-9(11)4-2-3-7-12-8-10-5-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyCBEWFCZFUIVERS-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.50
Rot. Bonds7

About 1-N-(cyclopropylmethyl)hexane-1,5-diamine

1-N-(cyclopropylmethyl)hexane-1,5-diamine (PubChem CID 82853515) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)hexane-1,5-diamine
PubChem CID82853515
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N-(cyclopropylmethyl)hexane-1,5-diamine
SMILESCC(N)CCCCNCC1CC1
InChIInChI=1S/C10H22N2/c1-9(11)4-2-3-7-12-8-10-5-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyCBEWFCZFUIVERS-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.50
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

1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 18175301
1-N-propylnonane-1,8-diamine
CID 87246434
3-chloro-N-(cyclopropylmethyl)butan-1-amine
CID 65025281
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
CID 102913647
4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)hexane-1,5-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)hexane-1,5-diamine (CID 82853515) is 1-N-(cyclopropylmethyl)hexane-1,5-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)hexane-1,5-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)hexane-1,5-diamine is CC(N)CCCCNCC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)hexane-1,5-diamine?
The InChIKey is CBEWFCZFUIVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(11)4-2-3-7-12-8-10-5-6-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-N-(cyclopropylmethyl)hexane-1,5-diamine?
1-N-(cyclopropylmethyl)hexane-1,5-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)hexane-1,5-diamine is sourced from PubChem (CID 82853515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).