N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide

C14H30N2O — CID 114282132

IUPACN-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide
SMILESCCCN(CCCN)C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O/c1-6-9-16(10-7-8-15)14(17)13(11(2)3)12(4)5/h11-13H,6-10,15H2,1-5H3
InChIKeyNZONMDIZFGWLIP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.50
Rot. Bonds8

About N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide

N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide (PubChem CID 114282132) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide
PubChem CID114282132
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide
SMILESCCCN(CCCN)C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O/c1-6-9-16(10-7-8-15)14(17)13(11(2)3)12(4)5/h11-13H,6-10,15H2,1-5H3
InChIKeyNZONMDIZFGWLIP-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
4-amino-N,N-dipropylbutanamide
CID 12835718
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-(3-aminopropyl)-N-ethyl-2-propylpentanamide
CID 82984398
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
N-(2-aminoethyl)-2-ethyl-N-propylbutanamide
CID 61349350
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
CID 115867094

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide?
The IUPAC name of N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide (CID 114282132) is N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide is CCCN(CCCN)C(=O)C(C(C)C)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide?
The InChIKey is NZONMDIZFGWLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-9-16(10-7-8-15)14(17)13(11(2)3)12(4)5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide?
N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide has a molecular weight of 242.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide is sourced from PubChem (CID 114282132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).