(2S)-pentadecane-2,4,5,7,9,11,13-heptamine

C15H39N7 — CID 89259490

IUPAC(2S)-pentadecane-2,4,5,7,9,11,13-heptamine
SMILESCCC(N)CC(N)CC(N)CC(N)CC(N)C(N)C[C@H](C)N
InChIInChI=1S/C15H39N7/c1-3-10(17)5-11(18)6-12(19)7-13(20)8-15(22)14(21)4-9(2)16/h9-15H,3-8,16-22H2,1-2H3/t9-,10?,11?,12?,13?,14?,15?/m0/s1
InChIKeyXWXRKLYEFJWIOC-VYGZZCQESA-N
MW317.53 g/mol
LogP-1.34
Rot. Bonds12

About (2S)-pentadecane-2,4,5,7,9,11,13-heptamine

(2S)-pentadecane-2,4,5,7,9,11,13-heptamine (PubChem CID 89259490) has the molecular formula C15H39N7 and a molecular weight of 317.53 g/mol. Its IUPAC name is (2S)-pentadecane-2,4,5,7,9,11,13-heptamine.

Molecular Properties

Compound Name(2S)-pentadecane-2,4,5,7,9,11,13-heptamine
PubChem CID89259490
Molecular FormulaC15H39N7
Molecular Weight317.53 g/mol
Exact Mass317.33
IUPAC Name(2S)-pentadecane-2,4,5,7,9,11,13-heptamine
SMILESCCC(N)CC(N)CC(N)CC(N)CC(N)C(N)C[C@H](C)N
InChIInChI=1S/C15H39N7/c1-3-10(17)5-11(18)6-12(19)7-13(20)8-15(22)14(21)4-9(2)16/h9-15H,3-8,16-22H2,1-2H3/t9-,10?,11?,12?,13?,14?,15?/m0/s1
InChIKeyXWXRKLYEFJWIOC-VYGZZCQESA-N
XLogP-1.34
TPSA182.14 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.53
LogP ≤ 5-1.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-pentadecane-2,4,5,7,9,11,13-heptamine?
The IUPAC name of (2S)-pentadecane-2,4,5,7,9,11,13-heptamine (CID 89259490) is (2S)-pentadecane-2,4,5,7,9,11,13-heptamine.
What is the SMILES notation for (2S)-pentadecane-2,4,5,7,9,11,13-heptamine?
The canonical SMILES for (2S)-pentadecane-2,4,5,7,9,11,13-heptamine is CCC(N)CC(N)CC(N)CC(N)CC(N)C(N)C[C@H](C)N.
What is the InChIKey of (2S)-pentadecane-2,4,5,7,9,11,13-heptamine?
The InChIKey is XWXRKLYEFJWIOC-VYGZZCQESA-N. The full InChI is InChI=1S/C15H39N7/c1-3-10(17)5-11(18)6-12(19)7-13(20)8-15(22)14(21)4-9(2)16/h9-15H,3-8,16-22H2,1-2H3/t9-,10?,11?,12?,13?,14?,15?/m0/s1.
What are the key properties of (2S)-pentadecane-2,4,5,7,9,11,13-heptamine?
(2S)-pentadecane-2,4,5,7,9,11,13-heptamine has a molecular weight of 317.53 g/mol, XLogP of -1.34, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pentadecane-2,4,5,7,9,11,13-heptamine is sourced from PubChem (CID 89259490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).