N"-(4-aminopentyl)methanetriamine

C6H18N4 — CID 89061726

IUPACN"-(4-aminopentyl)methanetriamine
SMILESCC(N)CCCNC(N)N
InChIInChI=1S/C6H18N4/c1-5(7)3-2-4-10-6(8)9/h5-6,10H,2-4,7-9H2,1H3
InChIKeyTVGZRCREIUPCSQ-UHFFFAOYSA-N
MW146.24 g/mol
LogP-1.10
Rot. Bonds5

About N"-(4-aminopentyl)methanetriamine

N"-(4-aminopentyl)methanetriamine (PubChem CID 89061726) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is N"-(4-aminopentyl)methanetriamine.

Molecular Properties

Compound NameN"-(4-aminopentyl)methanetriamine
PubChem CID89061726
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC NameN"-(4-aminopentyl)methanetriamine
SMILESCC(N)CCCNC(N)N
InChIInChI=1S/C6H18N4/c1-5(7)3-2-4-10-6(8)9/h5-6,10H,2-4,7-9H2,1H3
InChIKeyTVGZRCREIUPCSQ-UHFFFAOYSA-N
XLogP-1.10
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopentylamino)propanoic acid
CID 142180855
4-amino-7-(diaminomethylamino)-2-methylheptan-3-one
CID 148543168
docosane-2,21-diamine
CID 150079956
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
N"-octylmethanetriamine
CID 139788026
(4S,7S)-4,7-diamino-1-(diaminomethylamino)-9-methyldecane-5,6-dione
CID 122418789
5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168
(5S)-5-amino-8-(diaminomethylamino)octane-2,4-dione
CID 89257101
(5R)-hexane-2,5-diamine
CID 144618459
pentadecane-2,6,10,14-tetramine
CID 164971565
1-amino-4-(1-aminoethylamino)butane-1-thiol
CID 91237614
2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595

Frequently Asked Questions

What is the IUPAC name of N"-(4-aminopentyl)methanetriamine?
The IUPAC name of N"-(4-aminopentyl)methanetriamine (CID 89061726) is N"-(4-aminopentyl)methanetriamine.
What is the SMILES notation for N"-(4-aminopentyl)methanetriamine?
The canonical SMILES for N"-(4-aminopentyl)methanetriamine is CC(N)CCCNC(N)N.
What is the InChIKey of N"-(4-aminopentyl)methanetriamine?
The InChIKey is TVGZRCREIUPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-5(7)3-2-4-10-6(8)9/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of N"-(4-aminopentyl)methanetriamine?
N"-(4-aminopentyl)methanetriamine has a molecular weight of 146.24 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(4-aminopentyl)methanetriamine is sourced from PubChem (CID 89061726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).