(6R,7S)-dodecane-1,6,7,12-tetramine

C12H30N4 — CID 124604183

IUPAC(6R,7S)-dodecane-1,6,7,12-tetramine
SMILESNCCCCC[C@@H](N)[C@@H](N)CCCCCN
InChIInChI=1S/C12H30N4/c13-9-5-1-3-7-11(15)12(16)8-4-2-6-10-14/h11-12H,1-10,13-16H2/t11-,12+
InChIKeyIBFISXWMMUEZCG-TXEJJXNPSA-N
MW230.40 g/mol
LogP0.68
Rot. Bonds11

About (6R,7S)-dodecane-1,6,7,12-tetramine

(6R,7S)-dodecane-1,6,7,12-tetramine (PubChem CID 124604183) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is (6R,7S)-dodecane-1,6,7,12-tetramine.

Molecular Properties

Compound Name(6R,7S)-dodecane-1,6,7,12-tetramine
PubChem CID124604183
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name(6R,7S)-dodecane-1,6,7,12-tetramine
SMILESNCCCCC[C@@H](N)[C@@H](N)CCCCCN
InChIInChI=1S/C12H30N4/c13-9-5-1-3-7-11(15)12(16)8-4-2-6-10-14/h11-12H,1-10,13-16H2/t11-,12+
InChIKeyIBFISXWMMUEZCG-TXEJJXNPSA-N
XLogP0.68
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octadecane-1,6,7,18-tetramine
CID 56630973
pentacosane-1,13,25-triamine
CID 174653759
octane-1,4,8-triamine
CID 18544198
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
1-bromohexane-1,6-diamine
CID 174353675
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
1,6-diaminohexan-1-ol
CID 57008257
1-iododecane-1,10-diamine
CID 175279846
undecane-1,10-diamine
CID 140782210
1-bromododecane-1,12-diamine
CID 175488635

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-dodecane-1,6,7,12-tetramine?
The IUPAC name of (6R,7S)-dodecane-1,6,7,12-tetramine (CID 124604183) is (6R,7S)-dodecane-1,6,7,12-tetramine.
What is the SMILES notation for (6R,7S)-dodecane-1,6,7,12-tetramine?
The canonical SMILES for (6R,7S)-dodecane-1,6,7,12-tetramine is NCCCCC[C@@H](N)[C@@H](N)CCCCCN.
What is the InChIKey of (6R,7S)-dodecane-1,6,7,12-tetramine?
The InChIKey is IBFISXWMMUEZCG-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H30N4/c13-9-5-1-3-7-11(15)12(16)8-4-2-6-10-14/h11-12H,1-10,13-16H2/t11-,12+.
What are the key properties of (6R,7S)-dodecane-1,6,7,12-tetramine?
(6R,7S)-dodecane-1,6,7,12-tetramine has a molecular weight of 230.40 g/mol, XLogP of 0.68, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-dodecane-1,6,7,12-tetramine is sourced from PubChem (CID 124604183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).