N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine

C11H25N3 — CID 18175301

IUPACN'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
SMILESNCCCCNCCCNCC1CC1
InChIInChI=1S/C11H25N3/c12-6-1-2-7-13-8-3-9-14-10-11-4-5-11/h11,13-14H,1-10,12H2
InChIKeyLDYPTLBWZRDUHM-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.70
Rot. Bonds10

About N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine

N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine (PubChem CID 18175301) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
PubChem CID18175301
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
SMILESNCCCCNCCCNCC1CC1
InChIInChI=1S/C11H25N3/c12-6-1-2-7-13-8-3-9-14-10-11-4-5-11/h11,13-14H,1-10,12H2
InChIKeyLDYPTLBWZRDUHM-UHFFFAOYSA-N
XLogP0.70
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
(E)-N,N'-bis[3-(cyclopropylmethylamino)propyl]but-2-ene-1,4-diamine
CID 19956427
N'-(3-aminopropyl)-N-[3-(cycloheptylmethylamino)propyl]-N'-[3-(ethylamino)propyl]heptane-1,7-diamine
CID 58965158
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine (CID 18175301) is N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine is NCCCCNCCCNCC1CC1.
What is the InChIKey of N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine?
The InChIKey is LDYPTLBWZRDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c12-6-1-2-7-13-8-3-9-14-10-11-4-5-11/h11,13-14H,1-10,12H2.
What are the key properties of N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine?
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.70, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 18175301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).