1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine

C13H30N2 — CID 62423187

IUPAC1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)N(C)C(C)CCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)15(7)12(3)9-8-10-14-13(4,5)6/h11-12,14H,8-10H2,1-7H3
InChIKeyMLSZMTMBIHLTOH-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds6

About 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine

1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62423187) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
PubChem CID62423187
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)N(C)C(C)CCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)15(7)12(3)9-8-10-14-13(4,5)6/h11-12,14H,8-10H2,1-7H3
InChIKeyMLSZMTMBIHLTOH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
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

1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
1-N-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-propylpentane-1,4-diamine
CID 62436896
1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 63864384
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
N-tert-butyl-4-methoxypentan-1-amine
CID 62444088
1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine
CID 62428982
N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82957489
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
1-N-tert-butyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421750

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine (CID 62423187) is 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine is CC(C)N(C)C(C)CCCNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is MLSZMTMBIHLTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(2)15(7)12(3)9-8-10-14-13(4,5)6/h11-12,14H,8-10H2,1-7H3.
What are the key properties of 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62423187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).