N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine

C9H20N2 — CID 163522783

IUPACN'-pent-4-en-2-yl-N-propan-2-ylmethanediamine
SMILESC=CCC(C)NCNC(C)C
InChIInChI=1S/C9H20N2/c1-5-6-9(4)11-7-10-8(2)3/h5,8-11H,1,6-7H2,2-4H3
InChIKeyDMGVMLIPRAQYQY-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.50
Rot. Bonds6

About N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine

N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine (PubChem CID 163522783) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN'-pent-4-en-2-yl-N-propan-2-ylmethanediamine
PubChem CID163522783
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-pent-4-en-2-yl-N-propan-2-ylmethanediamine
SMILESC=CCC(C)NCNC(C)C
InChIInChI=1S/C9H20N2/c1-5-6-9(4)11-7-10-8(2)3/h5,8-11H,1,6-7H2,2-4H3
InChIKeyDMGVMLIPRAQYQY-UHFFFAOYSA-N
XLogP1.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylpent-4-en-2-amine
CID 21205791
N-pent-4-en-2-ylpent-4-en-2-amine
CID 21889381
1,3-Bis(pent-1-en-3-yl)urea
CID 87946299
1-N,1-N'-bis(hepta-1,6-dien-4-yl)hexane-1,1-diamine
CID 88217871
1-N'-hexa-1,5-dien-3-ylethane-1,1-diamine
CID 88645132
azane;N-prop-2-enylpent-1-en-3-amine
CID 88749494
1-N'-pent-1-en-3-ylethane-1,1-diamine
CID 89066679
1-Pent-4-en-2-yl-3-propan-2-ylurea
CID 115633260
N'-butan-2-yl-N-[(Z)-but-2-enyl]methanediamine
CID 121420149
N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine
CID 123318977
Ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium
CID 123434448
1-N'-[(hex-3-enylamino)methyl]ethane-1,1-diamine
CID 123541630

Frequently Asked Questions

What is the IUPAC name of N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine?
The IUPAC name of N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine (CID 163522783) is N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine.
What is the SMILES notation for N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine?
The canonical SMILES for N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine is C=CCC(C)NCNC(C)C.
What is the InChIKey of N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine?
The InChIKey is DMGVMLIPRAQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-6-9(4)11-7-10-8(2)3/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine?
N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine has a molecular weight of 156.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine is sourced from PubChem (CID 163522783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).