4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline

C15H26N2 — CID 43275905

IUPAC4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
SMILESCCCN(CCC(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2/c1-4-10-17(11-9-13(2)3)15-7-5-14(12-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyPGTNAPRELJDQBI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.41
Rot. Bonds7

About 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline

4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline (PubChem CID 43275905) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
PubChem CID43275905
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
SMILESCCCN(CCC(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2/c1-4-10-17(11-9-13(2)3)15-7-5-14(12-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyPGTNAPRELJDQBI-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
CID 54958363
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-methyl-N,N-bis(3-methylbutyl)aniline
CID 138414456
4-[bis(3-methylbutyl)amino]phenol
CID 57012672
4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62699715
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline (CID 43275905) is 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline is CCCN(CCC(C)C)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline?
The InChIKey is PGTNAPRELJDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-10-17(11-9-13(2)3)15-7-5-14(12-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline?
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline is sourced from PubChem (CID 43275905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).