N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide

C15H29N3O — CID 142064814

IUPACN-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide
SMILESC=C(NC(C(=O)NCC(N)=CCC)C(C)C)C(C)C
InChIInChI=1S/C15H29N3O/c1-7-8-13(16)9-17-15(19)14(11(4)5)18-12(6)10(2)3/h8,10-11,14,18H,6-7,9,16H2,1-5H3,(H,17,19)
InChIKeyLAIUPSCVACKJRF-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.14
Rot. Bonds8

About N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide

N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide (PubChem CID 142064814) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide
PubChem CID142064814
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide
SMILESC=C(NC(C(=O)NCC(N)=CCC)C(C)C)C(C)C
InChIInChI=1S/C15H29N3O/c1-7-8-13(16)9-17-15(19)14(11(4)5)18-12(6)10(2)3/h8,10-11,14,18H,6-7,9,16H2,1-5H3,(H,17,19)
InChIKeyLAIUPSCVACKJRF-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide?
The IUPAC name of N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide (CID 142064814) is N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide.
What is the SMILES notation for N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide?
The canonical SMILES for N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide is C=C(NC(C(=O)NCC(N)=CCC)C(C)C)C(C)C.
What is the InChIKey of N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide?
The InChIKey is LAIUPSCVACKJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-8-13(16)9-17-15(19)14(11(4)5)18-12(6)10(2)3/h8,10-11,14,18H,6-7,9,16H2,1-5H3,(H,17,19).
What are the key properties of N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide?
N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide has a molecular weight of 267.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopent-2-enyl)-3-methyl-2-(3-methylbut-1-en-2-ylamino)butanamide is sourced from PubChem (CID 142064814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).