N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine

C17H30N2 — CID 114478711

IUPACN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccc(CN)cc1C)C(C)C
InChIInChI=1S/C17H30N2/c1-5-6-7-10-19(14(2)3)13-17-9-8-16(12-18)11-15(17)4/h8-9,11,14H,5-7,10,12-13,18H2,1-4H3
InChIKeyAFXZNKJLMHEPBD-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.85
Rot. Bonds8

About N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine

N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 114478711) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID114478711
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccc(CN)cc1C)C(C)C
InChIInChI=1S/C17H30N2/c1-5-6-7-10-19(14(2)3)13-17-9-8-16(12-18)11-15(17)4/h8-9,11,14H,5-7,10,12-13,18H2,1-4H3
InChIKeyAFXZNKJLMHEPBD-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65338517
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 114478718
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55128300
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
N-[(4-bromo-2-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 113471342
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114478730
4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
CID 60930279

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine (CID 114478711) is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1ccc(CN)cc1C)C(C)C.
What is the InChIKey of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is AFXZNKJLMHEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-6-7-10-19(14(2)3)13-17-9-8-16(12-18)11-15(17)4/h8-9,11,14H,5-7,10,12-13,18H2,1-4H3.
What are the key properties of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114478711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).