2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine

C19H34N2 — CID 43829679

IUPAC2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
SMILESCCCCC(N(CCC)CCC)C(C)(N)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-8-14-18(21(15-6-2)16-7-3)19(4,20)17-12-10-9-11-13-17/h9-13,18H,5-8,14-16,20H2,1-4H3
InChIKeyDXZJQBHNRRVUTH-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.54
Rot. Bonds10

About 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine

2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine (PubChem CID 43829679) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine.

Molecular Properties

Compound Name2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
PubChem CID43829679
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
SMILESCCCCC(N(CCC)CCC)C(C)(N)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-8-14-18(21(15-6-2)16-7-3)19(4,20)17-12-10-9-11-13-17/h9-13,18H,5-8,14-16,20H2,1-4H3
InChIKeyDXZJQBHNRRVUTH-UHFFFAOYSA-N
XLogP4.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
CID 43829678
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
3-methyl-2-phenylhexan-2-amine
CID 107892285
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
CID 43830567
3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
CID 43829684
1,1,1-triphenylhexan-2-amine
CID 164823082
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
(2S)-2-phenylhexan-2-amine
CID 10889241
tert-butylbenzene;hexane
CID 175254424
1,1-diphenylpentan-1-amine
CID 10263654
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine?
The IUPAC name of 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine (CID 43829679) is 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine.
What is the SMILES notation for 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine?
The canonical SMILES for 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine is CCCCC(N(CCC)CCC)C(C)(N)c1ccccc1.
What is the InChIKey of 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine?
The InChIKey is DXZJQBHNRRVUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-8-14-18(21(15-6-2)16-7-3)19(4,20)17-12-10-9-11-13-17/h9-13,18H,5-8,14-16,20H2,1-4H3.
What are the key properties of 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine?
2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine is sourced from PubChem (CID 43829679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).