2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine

C14H32N2 — CID 115705841

IUPAC2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine
SMILESCCCC(C)C(CC)NCC(C)(C)N(C)C
InChIInChI=1S/C14H32N2/c1-8-10-12(3)13(9-2)15-11-14(4,5)16(6)7/h12-13,15H,8-11H2,1-7H3
InChIKeyKBKKXNVKIAFQEJ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds8

About 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine (PubChem CID 115705841) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine
PubChem CID115705841
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine
SMILESCCCC(C)C(CC)NCC(C)(C)N(C)C
InChIInChI=1S/C14H32N2/c1-8-10-12(3)13(9-2)15-11-14(4,5)16(6)7/h12-13,15H,8-11H2,1-7H3
InChIKeyKBKKXNVKIAFQEJ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
CID 115705393
3-methyl-3-(4-methylheptan-3-ylamino)butan-2-ol
CID 115922962
4-methyl-N-(3-methylsulfinylpropyl)heptan-3-amine
CID 115721009
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol
CID 115718547
N-tert-butyl-2-ethyl-3-methylhexan-1-amine
CID 107897145
4-methyl-N-(thian-4-ylmethyl)heptan-3-amine
CID 115719942
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
N-tert-butyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]propanamide
CID 54940320
2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
CID 63983796
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767790
N,4,8,9-tetramethyldecan-5-amine
CID 123786159

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine (CID 115705841) is 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine is CCCC(C)C(CC)NCC(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine?
The InChIKey is KBKKXNVKIAFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-10-12(3)13(9-2)15-11-14(4,5)16(6)7/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 115705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).