N'-(1-aminopropyl)butane-1,4-diamine

C7H19N3 — CID 87162705

IUPACN'-(1-aminopropyl)butane-1,4-diamine
SMILESCCC(N)NCCCCN
InChIInChI=1S/C7H19N3/c1-2-7(9)10-6-4-3-5-8/h7,10H,2-6,8-9H2,1H3
InChIKeyLVLIMOFASWZMLG-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.01
Rot. Bonds6

About N'-(1-aminopropyl)butane-1,4-diamine

N'-(1-aminopropyl)butane-1,4-diamine (PubChem CID 87162705) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N'-(1-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-aminopropyl)butane-1,4-diamine
PubChem CID87162705
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN'-(1-aminopropyl)butane-1,4-diamine
SMILESCCC(N)NCCCCN
InChIInChI=1S/C7H19N3/c1-2-7(9)10-6-4-3-5-8/h7,10H,2-6,8-9H2,1H3
InChIKeyLVLIMOFASWZMLG-UHFFFAOYSA-N
XLogP0.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-Propylbutylamine
CID 88399
N,N'-Dimethylputrescine
CID 85238
4-(Ethylamino)-N-butylamine
CID 7567962
N-methylputrescinium(2+)
CID 21668242
N-ethyl-N'-[4-(ethylamino)butyl]butane-1,4-diamine
CID 9834367
N'-[4-(propylamino)butyl]butane-1,4-diamine
CID 9920671
N1-Methyl-N4-(4-(methylamino)butyl)butane-1,4-diamine
CID 9964296
N,N'-Diethylputrescine
CID 88062
N-butyl-1,3-diaminopropane
CID 95733
N,N'-Dipropylbutane-1,4-diamine
CID 90071
N-Methylpropandiamin
CID 22182297
1,4-Butanediamine, N,N'-dibutyl-
CID 444473

Frequently Asked Questions

What is the IUPAC name of N'-(1-aminopropyl)butane-1,4-diamine?
The IUPAC name of N'-(1-aminopropyl)butane-1,4-diamine (CID 87162705) is N'-(1-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-aminopropyl)butane-1,4-diamine?
The canonical SMILES for N'-(1-aminopropyl)butane-1,4-diamine is CCC(N)NCCCCN.
What is the InChIKey of N'-(1-aminopropyl)butane-1,4-diamine?
The InChIKey is LVLIMOFASWZMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-2-7(9)10-6-4-3-5-8/h7,10H,2-6,8-9H2,1H3.
What are the key properties of N'-(1-aminopropyl)butane-1,4-diamine?
N'-(1-aminopropyl)butane-1,4-diamine has a molecular weight of 145.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 87162705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).